CAS RN: 884504-69-2
4-(3-PYRIDYL)-1H-1,2,3-TRIAZOLE-5-CARBONITRILE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250410 | 1mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS884504-69-2
- Purity/Analytical Methods: >99.0%
884504-69-2 / 5-pyridin-3-yl-2H-triazole-4-carbonitrile
Basic Information
CAS
884504-69-2
Multi CAS
Yes
Molecular Formula
C8H5N5
Molecular Weight
171.160000
Exact Mass
171.054495
InChI
InChI=1S/C8H5N5/c9-4-7-8(12-13-11-7)6-2-1-3-10-5-6/h1-3,5H,(H,11,12,13)
InChIKey
XRTPBPLIVYBPJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.33
TPSA
78.25
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.2
Consensus LogP
0.53
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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